REMARK  Name = BDB055183
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.185  -1.923  -0.324  0.00  0.00    +0.090 C 
ATOM      2  C   LIG    1       -0.403  -0.686   0.126  0.00  0.00    +0.034 C 
ATOM      3  C   LIG    1        0.928  -1.119   0.805  0.00  0.00    +0.072 C 
ATOM      4  C   LIG    1        0.658  -2.417   1.649  0.00  0.00    +0.099 C 
ATOM      5  N   LIG    1       -0.740  -2.614   2.054  0.00  0.00    -0.314 NA
ATOM      6  H   LIG    1       -1.017  -1.805   2.612  0.00  0.00    +0.122 HD
ATOM      7  C   LIG    1       -1.633  -2.739   0.894  0.00  0.00    +0.093 C 
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1        1.617  -0.064   1.598  0.00  0.00    -0.283 NA
ATOM      9  C   LIG    1        3.081  -0.280   1.908  0.00  0.00    +0.033 C 
ATOM     10  C   LIG    1        3.733  -1.564   1.333  0.00  0.00    +0.029 C 
ATOM     11  C   LIG    1        3.185  -0.347   3.448  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1        3.997   0.918   1.435  0.00  0.00    +0.135 C 
ATOM     13  N   LIG    1        3.625   1.389   0.102  0.00  0.00    -0.267 N 
ATOM     14  C   LIG    1        2.259   1.609  -0.127  0.00  0.00    +0.234 C 
ATOM     15  O   LIG    1        1.756   2.029  -1.166  0.00  0.00    -0.274 OA
ATOM     16  C   LIG    1        1.401   1.318   1.107  0.00  0.00    +0.181 C 
BRANCH  13  17
ATOM     17  C   LIG    1        4.614   1.575  -0.915  0.00  0.00    +0.055 A 
ATOM     18  C   LIG    1        5.890   2.132  -0.684  0.00  0.00    +0.062 A 
ATOM     19 CL   LIG    1        6.357   2.867   0.815  0.00  0.00    -0.082 Cl
ATOM     20  C   LIG    1        6.829   2.224  -1.724  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1        6.513   1.780  -3.005  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        5.252   1.255  -3.257  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        4.314   1.158  -2.224  0.00  0.00    +0.025 A 
ENDBRANCH  13  17
ENDBRANCH   3   8
BRANCH   1  26
ATOM     24  N   LIG    1       -3.289  -0.708  -0.704  0.00  0.00    -0.315 N 
ATOM     25  H   LIG    1       -3.017  -0.141   0.087  0.00  0.00    +0.149 HD
ATOM     26  C   LIG    1       -2.364  -1.586  -1.226  0.00  0.00    +0.217 C 
ATOM     27  O   LIG    1       -2.482  -2.097  -2.337  0.00  0.00    -0.275 OA
BRANCH  24  28
ATOM     28  C   LIG    1       -4.391  -0.230  -1.517  0.00  0.00    +0.104 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.468   0.425  -0.655  0.00  0.00    +0.022 C 
BRANCH  29  31
ATOM     30  C   LIG    1       -7.390   0.035  -2.286  0.00  0.00    +0.007 C 
ATOM     31  C   LIG    1       -6.604   1.065  -1.474  0.00  0.00    -0.016 C 
ATOM     32  C   LIG    1       -7.553   1.821  -0.542  0.00  0.00    +0.007 C 
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  24  28
ENDBRANCH   1  26
TORSDOF 6